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113893-00-8 | [3,3'-Bipyridine]-5-carboxylic acid, methyl ester
CAS No: 113893-00-8 Catalog No: AG000A0C MDL No:
Product Description
Catalog Number:
AG000A0C
Chemical Name:
[3,3'-Bipyridine]-5-carboxylic acid, methyl ester
CAS Number:
113893-00-8
Molecular Formula:
C12H10N2O2
Molecular Weight:
214.2200
IUPAC Name:
methyl 5-pyridin-3-ylpyridine-3-carboxylate
InChI:
InChI=1S/C12H10N2O2/c1-16-12(15)11-5-10(7-14-8-11)9-3-2-4-13-6-9/h2-8H,1H3
InChI Key:
WLEQREMGDGWXCX-UHFFFAOYSA-N
SMILES:
COC(=O)c1cncc(c1)c1cccnc1
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.074g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
214.224g/mol
Monoisotopic Mass:
214.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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